3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one

C17H14ClNO — CID 166443945

IUPAC3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one
SMILESCc1ccc2c(c1)c(=O)c(-c1ccc(Cl)cc1)cn2C
InChIInChI=1S/C17H14ClNO/c1-11-3-8-16-14(9-11)17(20)15(10-19(16)2)12-4-6-13(18)7-5-12/h3-10H,1-2H3
InChIKeyBJEMCVUTPVMHLV-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.17
Rot. Bonds1

About 3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one

3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one (PubChem CID 166443945) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one
PubChem CID166443945
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one
SMILESCc1ccc2c(c1)c(=O)c(-c1ccc(Cl)cc1)cn2C
InChIInChI=1S/C17H14ClNO/c1-11-3-8-16-14(9-11)17(20)15(10-19(16)2)12-4-6-13(18)7-5-12/h3-10H,1-2H3
InChIKeyBJEMCVUTPVMHLV-UHFFFAOYSA-N
XLogP4.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-1,6-dimethylquinolin-4-one
CID 166443946
1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
CID 59110361
3-(4-chloroanilino)-4-[(1,5-dimethylindol-3-yl)amino]cyclobut-3-ene-1,2-dione
CID 155328395
6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one
CID 166442294
5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
CID 59110393
2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid
CID 1485807
1-methyl-3-(4-methylphenyl)indole
CID 58931542
1,5-dimethylindole-3-carbaldehyde
CID 1419073
1,6-dimethylquinolin-4-one;ethane
CID 144950018
sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride
CID 173392011
1-chloro-4-methylbenzene;zinc
CID 174694335
3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole
CID 138983603

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one (CID 166443945) is 3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one is Cc1ccc2c(c1)c(=O)c(-c1ccc(Cl)cc1)cn2C.
What is the InChIKey of 3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one?
The InChIKey is BJEMCVUTPVMHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11-3-8-16-14(9-11)17(20)15(10-19(16)2)12-4-6-13(18)7-5-12/h3-10H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one?
3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one has a molecular weight of 283.76 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one is sourced from PubChem (CID 166443945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).